(E)-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(5-methylfuran-2-yl)prop-2-enamide

C18H18F2N2O3 — CID 24979981

IUPAC(E)-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(=O)/C=C/c1ccc(C)o1
InChIInChI=1S/C18H18F2N2O3/c1-3-22(17(24)10-9-13-8-7-12(2)25-13)11-16(23)21-18-14(19)5-4-6-15(18)20/h4-10H,3,11H2,1-2H3,(H,21,23)/b10-9+
InChIKeyFDDOVEYFZNISOD-MDZDMXLPSA-N
MW348.35 g/mol
LogP3.37
Rot. Bonds6

About (E)-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(5-methylfuran-2-yl)prop-2-enamide

(E)-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(5-methylfuran-2-yl)prop-2-enamide (PubChem CID 24979981) has the molecular formula C18H18F2N2O3 and a molecular weight of 348.35 g/mol. Its IUPAC name is (E)-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(5-methylfuran-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(5-methylfuran-2-yl)prop-2-enamide
PubChem CID24979981
Molecular FormulaC18H18F2N2O3
Molecular Weight348.35 g/mol
Exact Mass348.13
IUPAC Name(E)-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(=O)/C=C/c1ccc(C)o1
InChIInChI=1S/C18H18F2N2O3/c1-3-22(17(24)10-9-13-8-7-12(2)25-13)11-16(23)21-18-14(19)5-4-6-15(18)20/h4-10H,3,11H2,1-2H3,(H,21,23)/b10-9+
InChIKeyFDDOVEYFZNISOD-MDZDMXLPSA-N
XLogP3.37
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(5-methylfuran-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(5-methylfuran-2-yl)prop-2-enamide (CID 24979981) is (E)-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(5-methylfuran-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(5-methylfuran-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(5-methylfuran-2-yl)prop-2-enamide is CCN(CC(=O)Nc1c(F)cccc1F)C(=O)/C=C/c1ccc(C)o1.
What is the InChIKey of (E)-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(5-methylfuran-2-yl)prop-2-enamide?
The InChIKey is FDDOVEYFZNISOD-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H18F2N2O3/c1-3-22(17(24)10-9-13-8-7-12(2)25-13)11-16(23)21-18-14(19)5-4-6-15(18)20/h4-10H,3,11H2,1-2H3,(H,21,23)/b10-9+.
What are the key properties of (E)-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(5-methylfuran-2-yl)prop-2-enamide?
(E)-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(5-methylfuran-2-yl)prop-2-enamide has a molecular weight of 348.35 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(5-methylfuran-2-yl)prop-2-enamide is sourced from PubChem (CID 24979981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).